3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-propyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-[1-(4-methylphenoxy)ethyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-[1-(4-methylphenoxy)ethyl]-N-propyl-piperazin-4-ium-1-carboxamide Formula: C26H34ClN8O3+ MolecularWeight: 542.05296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(C)OC4=CC=C(C=C4)C

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(C)OC4=CC=C(C=C4)C

InChI

InChI=1S/C26H33ClN8O3/c1-4-9-30-26(37)33-12-13-35(20(16-33)14-23(28)36,19(3)38-21-7-5-18(2)6-8-21)24-15-22(27)31-25(32-24)34-11-10-29-17-34/h5-8,10-11,15,17,19-20H,4,9,12-14,16H2,1-3H3,(H2-,28,30,36,37)/p+1